[3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride

C11H17Cl2NOSiZr — CID 22467750

IUPAC[3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride
SMILESC[C-](C[Si](C)(C)C1=CC=CC1)C([NH-])=O.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C11H18NOSi.2ClH.Zr/c1-9(11(12)13)8-14(2,3)10-6-4-5-7-10;;;/h4-6H,7-8H2,1-3H3,(H2,12,13);2*1H;/q-1;;;+4/p-3
InChIKeyJVSRLYZTQQVGJQ-UHFFFAOYSA-K
MW369.48 g/mol
LogP-2.70
Rot. Bonds4

About [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride

[3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride (PubChem CID 22467750) has the molecular formula C11H17Cl2NOSiZr and a molecular weight of 369.48 g/mol. Its IUPAC name is [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride.

Molecular Properties

Compound Name[3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride
PubChem CID22467750
Molecular FormulaC11H17Cl2NOSiZr
Molecular Weight369.48 g/mol
Exact Mass366.95
IUPAC Name[3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride
SMILESC[C-](C[Si](C)(C)C1=CC=CC1)C([NH-])=O.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C11H18NOSi.2ClH.Zr/c1-9(11(12)13)8-14(2,3)10-6-4-5-7-10;;;/h4-6H,7-8H2,1-3H3,(H2,12,13);2*1H;/q-1;;;+4/p-3
InChIKeyJVSRLYZTQQVGJQ-UHFFFAOYSA-K
XLogP-2.70
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 5-2.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride?
The IUPAC name of [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride (CID 22467750) is [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride.
What is the SMILES notation for [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride?
The canonical SMILES for [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride is C[C-](C[Si](C)(C)C1=CC=CC1)C([NH-])=O.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride?
The InChIKey is JVSRLYZTQQVGJQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H18NOSi.2ClH.Zr/c1-9(11(12)13)8-14(2,3)10-6-4-5-7-10;;;/h4-6H,7-8H2,1-3H3,(H2,12,13);2*1H;/q-1;;;+4/p-3.
What are the key properties of [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride?
[3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride has a molecular weight of 369.48 g/mol, XLogP of -2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopenta-1,3-dien-1-yl(dimethyl)silyl]-2-methylpropanoyl]azanide;zirconium(4+);dichloride is sourced from PubChem (CID 22467750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).